Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID000928

Phytochemical name: trans-Zeatin

Synonymous chemical names:
(e)-zeatin, zeatin, trans-zeatin

External chemical identifiers:
CID:CID_449093, ChEMBL:CHEMBL525239, ChEBI:CHEBI:16522, ZINC:ZINC000004492895, FDASRS:7I6OOJ9GR6, SureChEMBL:SCHEMBL49689, MolPort-003-981-851

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Chemical structure information

SMILES:
OC/C(=C/CNc1ncnc2c1[nH]cn2)/C

InChI:
InChI=1S/C10H13N5O/c1-7(4-16)2-3-11-9-8-10(13-5-12-8)15-6-14-9/h2,5-6,16H,3-4H2,1H3,(H2,11,12,13,14,15)/b7-2+

InChIKey:
UZKQTCBAMSWPJD-FARCUNLSSA-N

DeepSMILES:
OC/C=C/CNcncncc6[nH]cn5))))))))))))/C

Functional groups:
CO, C/C=C(/C)C, cNC, cnc, c[nH]c

Link to spectral information:
MSBNK-NaToxAq-NA002111, MSBNK-NaToxAq-NA002110, MSBNK-NaToxAq-NA002003, MSBNK-NaToxAq-NA002002, MSBNK-NaToxAq-NA002001, MSBNK-NaToxAq-NA002000, MSBNK-NaToxAq-NA001999, MSBNK-NaToxAq-NA001885, MSBNK-NaToxAq-NA001884, MSBNK-NaToxAq-NA001756, MSBNK-NaToxAq-NA001882, MSBNK-NaToxAq-NA001881, MSBNK-NaToxAq-NA001758, MSBNK-NaToxAq-NA001757, MSBNK-NaToxAq-NA002112, MSBNK-NaToxAq-NA001755, MSBNK-NaToxAq-NA001754, MSBNK-NaToxAq-NA001503, MSBNK-NaToxAq-NA001883, MSBNK-NaToxAq-NA002113, MSBNK-RIKEN-PR100759, MSBNK-RIKEN-PR020086, MSBNK-Washington_State_Univ-BML82273, MSBNK-Washington_State_Univ-BML82272, MSBNK-Washington_State_Univ-BML82271, MSBNK-Washington_State_Univ-BML82270, MSBNK-Washington_State_Univ-BML00900, MSBNK-Washington_State_Univ-BML00895, MSBNK-Washington_State_Univ-BML00890, MSBNK-Washington_State_Univ-BML00882, MSBNK-Washington_State_Univ-BML00873, MSBNK-Washington_State_Univ-BML00864, MSBNK-RIKEN_ReSpect-PS073107, MSBNK-RIKEN_ReSpect-PS073104, MSBNK-RIKEN_ReSpect-PS073103, MSBNK-RIKEN_ReSpect-PS073102, MSBNK-RIKEN_ReSpect-PS073101, MSBNK-NaToxAq-NA001502, MSBNK-RIKEN-PR100323, MSBNK-RIKEN-PR020088, MSBNK-RIKEN-PR020087, MSBNK-NaToxAq-NA002114, MSBNK-NaToxAq-NA001501, MSBNK-NaToxAq-NA001377, MSBNK-NaToxAq-NA001499, MSBNK-NaToxAq-NA001500, MSBNK-NaToxAq-NA000868, MSBNK-MPI_for_Chemical_Ecology-CE000580, MSBNK-MPI_for_Chemical_Ecology-CE000307, MSBNK-Keio_Univ-KO009320, MSBNK-Keio_Univ-KO009319, MSBNK-Keio_Univ-KO009318, MSBNK-Keio_Univ-KO009317, MSBNK-NaToxAq-NA000870, MSBNK-Keio_Univ-KO004280, MSBNK-Keio_Univ-KO004278, MSBNK-Keio_Univ-KO004277, MSBNK-Keio_Univ-KO004276, MSBNK-Keio_Univ-KO002022, MSBNK-Keio_Univ-KO002021, MSBNK-Keio_Univ-KO002020, MSBNK-Keio_Univ-KO002019, MSBNK-Keio_Univ-KO002018, MSBNK-Keio_Univ-KO004279, MSBNK-NaToxAq-NA000871, MSBNK-NaToxAq-NA000869, MSBNK-NaToxAq-NA000993, MSBNK-NaToxAq-NA001378, MSBNK-NaToxAq-NA001376, MSBNK-NaToxAq-NA001375, MSBNK-NaToxAq-NA001374, MSBNK-NaToxAq-NA001248, MSBNK-NaToxAq-NA001247, MSBNK-NaToxAq-NA000872, MSBNK-NaToxAq-NA001245, MSBNK-NaToxAq-NA001244, MSBNK-NaToxAq-NA001246, MSBNK-NaToxAq-NA001125, MSBNK-NaToxAq-NA001124, MSBNK-NaToxAq-NA001123, MSBNK-NaToxAq-NA001122, MSBNK-NaToxAq-NA000997, MSBNK-NaToxAq-NA000996, MSBNK-NaToxAq-NA000995, MSBNK-NaToxAq-NA000994, MSBNK-NaToxAq-NA001126

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ncc2[nH]cnc2n1

Scaffold Graph/Node level:
C1NCC2NCNC2N1

Scaffold Graph level:
C1CCC2CCCC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Imidazopyrimidines

ClassyFire Subclass: Purines and purine derivatives

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Pseudoalkaloids

NP Classifier Class: Purine alkaloids

NP-Likeness score: 0.42

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Chemical structure download